This workflow load an ART2A classifcation results and creates a diagram showing the origin allocation within the different cluster or classes. This is usable for performing a chemical diversity analysis. The result is stored within an PDF which contains a diagram and a table of the classification result.
org.openscience.cdk.applications.taverna.qsar.model.ART2AClassificator.tools.GetART2AClassificationResultWithDifferentOriginsAsCSV
org.openscience.cdk.applications.taverna.database.pgchem.GetMoleculeIDsAndOriginFromDB
jdbc:postgresql://localhost/cdktavernaSELECT id, origin, originalid FROM molecules